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@yomichi
yomichi committed Jun 5, 2019
2 parents a3df668 + 5a14a75 commit 37da826
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81 changes: 66 additions & 15 deletions doc/en/dla/users-manual/output.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -21,47 +21,62 @@ The first character stands for the meaning of the line.
The following one is a result of an antiferromagnetic Heisenberg chain.
::

C This is DSQSS ver.1.2.0
C This is DSQSS ver.v2.0.0

I N_PROC = 1
P D = 1
P L = 8
P BETA = 10.0000000000000000
P NSET = 10
P NMCSE = 1000
P NMCSD = 1000
P NPRE = 1000
P NTHERM = 1000
P NDECOR = 1000
P NMCS = 1000
P SEED = 198212240
P NSEGMAX = 10000
P NVERMAX = 10000
P BETA = 10.000000000000
P NTAU = 10
P NCYC = 7
P ALGFILE = algorithm.xml
P LATFILE = lattice.xml
P CFINPFILE = cf.xml
P SFINPFILE = sf.xml
P CKINPFILE = sf.xml
P OUTFILE = res.dat.000
P CFOUTFILE = cfout.dat.000
P SFOUTFILE = sfout.dat.000
P CKOUTFILE = ckout.dat.000
P WVFILE = wv.xml
P DISPFILE = disp.xml
P OUTFILE = sample.log
P CFOUTFILE = cf.dat
P SFOUTFILE = sf.dat
P CKOUTFILE = ck.dat
P SIMULATIONTIME = 0.000000
R sign = 1.00000000e+00 0.00000000e+00
R anv = 3.03805000e+00 1.25395375e-02
R ene = -4.55991910e-01 1.20267537e-03
R spe = -1.76672204e-02 4.09064489e-02
R som = -1.76672204e-01 4.09064489e-01
R len = 1.20014021e+01 4.78403202e-02
R xmx = 3.00035053e-01 1.19600800e-03
R amzu = -2.00000000e-04 1.08972474e-04
R bmzu = -2.00000000e-04 1.08972474e-04
R smzu = 1.32382500e-03 1.40792745e-04
R xmzu = 1.32382500e-02 1.40792745e-03
R amzs = -9.25000000e-04 4.02247160e-03
R bmzs = -2.03918502e-04 2.22828174e-03
R smzs = 8.72503175e-01 8.93939492e-03
R xmzs = 3.00500011e+00 2.99056535e-02
R time = 9.01378000e-08 1.61529255e-09
R ds1 = -1.32954309e-03 7.87178338e-04
R wi2 = 2.31040000e+01 3.83762890e-01
R rhos = 1.44400000e-01 2.39851806e-03
R rhof = inf nan
R comp = 2.43165481e+35 1.71412709e+35
R amzs0 = -2.00000000e-04 1.08972474e-04
R bmzs0 = 1.65625000e-04 1.76161818e-05
R smzs0 = 1.32382500e-03 1.40792745e-04
R xmzs0 = 1.32382500e-02 1.40792745e-03
R amzs1 = -9.25000000e-04 4.02247160e-03
R bmzs1 = 1.09209375e-01 1.12051866e-03
R smzs1 = 8.72503175e-01 8.93939492e-03
R xmzs1 = 3.00500011e+00 2.99056535e-02
R time = 1.03679300e-07 1.22794234e-09
I [the maximum number of segments] = 123
I [the maximum number of vertices] = 66
I [the maximum number of reg. vertex info.] = 3


Notations
-----------

Expand Down Expand Up @@ -131,10 +146,18 @@ Main results are written in a file with the name specified by ``outfile`` keywor
The specific heat

:math:`\displaystyle C_V \equiv \frac{\partial \epsilon}{\partial T}`

``som``
The ratio of the specific heat and the temperature.

:math:`\displaystyle \gamma \equiv \frac{C_V}{T} = \beta C_V`

``len``
The mean length of worm

``xmx``
The transverse susceptibility

``amzu``
The "magnetization" (uniform, :math:`\tau=0`).

Expand Down Expand Up @@ -187,6 +210,34 @@ Main results are written in a file with the name specified by ``outfile`` keywor
:math:`\displaystyle \chi^{zz}(\vec{k}, \omega=0)
= \beta N_s \left[\left\langle (\tilde{m}_K^z)^2 \right\rangle - \left\langle \tilde{m}_K^z \right\rangle^2 \right]`


``wi2``
The winding number.

:math:`\displaystyle W^2 = \sum_{d=1}^D L_d^2 \left\langle W_d^2 \right\rangle`

``rhos``
The superfluid density.

:math:`\displaystyle \rho_s = \frac{W^2}{2DV\beta}`


``rhof``
The superfluid fraction.

:math:`\displaystyle \frac{\rho_s}{\left\langle m^z \right\rangle}`


``comp``
The compressibility.

:math:`\displaystyle \frac{\chi^{zz}(\vec{k}=0,\omega=0)} {\left\langle \tilde{m}^z \right\rangle^2}`


``time``
The time in a Monte Carlo sweep (in seconds.)


Structure factor output
****************************************
The structure factor is written into a file with the name specified by ``sfoutfile`` keyword in the input file.
Expand Down
76 changes: 60 additions & 16 deletions doc/jp/dla/users-manual/output.rst
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Expand Up @@ -20,48 +20,63 @@ DLA は計算結果を行区切りのプレーンテキストファイルで出

以下にサンプル（反強磁性ハイゼンベルグ鎖）を示します.
::
C This is DSQSS ver.v2.0.0

C This is DSQSS ver.1.2.0

I N_PROC = 1
P D = 1
P L = 8
P BETA = 10.0000000000000000
P NSET = 10
P NMCSE = 1000
P NMCSD = 1000
P NPRE = 1000
P NTHERM = 1000
P NDECOR = 1000
P NMCS = 1000
P SEED = 198212240
P NSEGMAX = 10000
P NVERMAX = 10000
P BETA = 10.000000000000
P NTAU = 10
P NCYC = 7
P ALGFILE = algorithm.xml
P LATFILE = lattice.xml
P CFINPFILE = cf.xml
P SFINPFILE = sf.xml
P CKINPFILE = sf.xml
P OUTFILE = res.dat.000
P CFOUTFILE = cfout.dat.000
P SFOUTFILE = sfout.dat.000
P CKOUTFILE = ckout.dat.000
P WVFILE = wv.xml
P DISPFILE = disp.xml
P OUTFILE = sample.log
P CFOUTFILE = cf.dat
P SFOUTFILE = sf.dat
P CKOUTFILE = ck.dat
P SIMULATIONTIME = 0.000000
R sign = 1.00000000e+00 0.00000000e+00
R anv = 3.03805000e+00 1.25395375e-02
R ene = -4.55991910e-01 1.20267537e-03
R spe = -1.76672204e-02 4.09064489e-02
R som = -1.76672204e-01 4.09064489e-01
R len = 1.20014021e+01 4.78403202e-02
R xmx = 3.00035053e-01 1.19600800e-03
R amzu = -2.00000000e-04 1.08972474e-04
R bmzu = -2.00000000e-04 1.08972474e-04
R smzu = 1.32382500e-03 1.40792745e-04
R xmzu = 1.32382500e-02 1.40792745e-03
R amzs = -9.25000000e-04 4.02247160e-03
R bmzs = -2.03918502e-04 2.22828174e-03
R smzs = 8.72503175e-01 8.93939492e-03
R xmzs = 3.00500011e+00 2.99056535e-02
R time = 9.01378000e-08 1.61529255e-09
R ds1 = -1.32954309e-03 7.87178338e-04
R wi2 = 2.31040000e+01 3.83762890e-01
R rhos = 1.44400000e-01 2.39851806e-03
R rhof = inf nan
R comp = 2.43165481e+35 1.71412709e+35
R amzs0 = -2.00000000e-04 1.08972474e-04
R bmzs0 = 1.65625000e-04 1.76161818e-05
R smzs0 = 1.32382500e-03 1.40792745e-04
R xmzs0 = 1.32382500e-02 1.40792745e-03
R amzs1 = -9.25000000e-04 4.02247160e-03
R bmzs1 = 1.09209375e-01 1.12051866e-03
R smzs1 = 8.72503175e-01 8.93939492e-03
R xmzs1 = 3.00500011e+00 2.99056535e-02
R time = 1.03679300e-07 1.22794234e-09
I [the maximum number of segments] = 123
I [the maximum number of vertices] = 66
I [the maximum number of reg. vertex info.] = 3


以下の物理量定義に現れる記号の意味を示します.

:math:`N_s`
Expand Down Expand Up @@ -137,8 +152,10 @@ DLA は計算結果を行区切りのプレーンテキストファイルで出

``len``
平均ワーム長さ.

``xmx``
横感受率.

``amzu``
「磁化」(uniform, :math:`\tau=0`).

Expand Down Expand Up @@ -189,6 +206,33 @@ DLA は計算結果を行区切りのプレーンテキストファイルで出
:math:`\displaystyle \chi^{zz}(\vec{k}, \omega=0)
= \beta N_s \left[\left\langle (\tilde{m}_K^z)^2 \right\rangle - \left\langle \tilde{m}_K^z \right\rangle^2 \right]`

``wi2``
ワインディングナンバー.

:math:`\displaystyle W^2 = \sum_{d=1}^D L_d^2 \left\langle W_d^2 \right\rangle`

``rhos``
超流動密度.

:math:`\displaystyle \rho_s = \frac{W^2}{2DV\beta}`


``rhof``
超流動比 (superfluid fraction).

:math:`\displaystyle \frac{\rho_s}{\left\langle m^z \right\rangle}`


``comp``
圧縮率 (compressibility).

:math:`\displaystyle \frac{\chi^{zz}(\vec{k}=0,\omega=0)} {\left\langle \tilde{m}^z \right\rangle^2}`


``time``
モンテカルロスイープあたりの計算時間（秒）.


構造因子出力ファイル
****************************************
構造因子出力ファイルは, 入力パラメータファイルの ``sfoutfile`` キーワードで指定した名前で出力されます.
Expand Down
9 changes: 5 additions & 4 deletions tool/cmake/install.sh.in
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Expand Up @@ -9,14 +9,15 @@ if ! @PYTHON_EXECUTABLE@ -m pip --version >/dev/null 2>/dev/null ;then
fi

set -e
PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install -U pip --prefix=@CMAKE_INSTALL_PREFIX@
PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install wheel --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location
DSQSS_VERSION=$(@PYTHON_EXECUTABLE@ setup.py --version)
@PYTHON_EXECUTABLE@ setup.py bdist_wheel --universal
mkdir -p temp
cd temp

# install dependencies if not installed
PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install ../dist/dsqss-${DSQSS_VERSION}-py2.py3-none-any.whl --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location
# To reinstall dsqss forcely, remove old dsqss package
# `pip uninstall dsqss` removes ALL libraries and binaries
rm -rf @DSQSS_PYTHONPATH@/dsqss*

# forcely install dsqss
PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install --no-deps --force-reinstall ../dist/dsqss-${DSQSS_VERSION}-py2.py3-none-any.whl --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location
PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install ../dist/dsqss-${DSQSS_VERSION}-py2.py3-none-any.whl --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location
22 changes: 18 additions & 4 deletions tool/dsqss/std_lattice.py
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Original file line number Diff line number Diff line change
Expand Up @@ -74,13 +74,27 @@ def main():
)

args = parser.parse_args()
inp = toml.load(args.input)
lat, lattice_dict = std_lattice(inp, True)
istoml = True
try:
inp = toml.load(args.input)
except toml.TomlDecodeError:
istoml = False
print("Input file seems not to be TOML file.")

if istoml:
lat, lattice_dict = std_lattice(inp, True)
else:
lat = Lattice(args.input)

if len(args.out) > 0:
lat.save_dat(args.out)
if len(args.toml) > 0:
with codecs.open(args.toml, "w", "utf-8") as f:
toml.dump(lattice_dict, f)
if istoml:
with codecs.open(args.toml, "w", "utf-8") as f:
toml.dump(lattice_dict, f)
else:
ERROR("Cannot generate a lattice TOML file from a lattice data file.")

if len(args.gnuplot) > 0:
lat.write_gnuplot(args.gnuplot)

Expand Down

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